N-(4-oxo-5,5-diphenylpentyl)methanesulfonamide

C18H21NO3S — CID 24751947

IUPACN-(4-oxo-5,5-diphenylpentyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO3S/c1-23(21,22)19-14-8-13-17(20)18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,18-19H,8,13-14H2,1H3
InChIKeyJDYLWTVHXMNKER-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.72
Rot. Bonds8

About N-(4-oxo-5,5-diphenylpentyl)methanesulfonamide

N-(4-oxo-5,5-diphenylpentyl)methanesulfonamide (PubChem CID 24751947) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(4-oxo-5,5-diphenylpentyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-oxo-5,5-diphenylpentyl)methanesulfonamide
PubChem CID24751947
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-(4-oxo-5,5-diphenylpentyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO3S/c1-23(21,22)19-14-8-13-17(20)18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,18-19H,8,13-14H2,1H3
InChIKeyJDYLWTVHXMNKER-UHFFFAOYSA-N
XLogP2.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-oxo-9,9-diphenylnonanoic acid
CID 58248727
5-methoxy-1,1-diphenylpentan-2-one
CID 115601489
3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide
CID 103823697
1,1,5,5-tetraphenylpentane-2,4-dione
CID 22951899
(2R)-2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylacetamide
CID 61156610
N-(3-phenylsulfanylpropyl)methanesulfonamide
CID 47108530
N-[3-(1-phenylpentylamino)propyl]methanesulfonamide
CID 103716746
3-(1-hydroxyethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106341917
2-[2-[[3-(methanesulfonamido)propylamino]methyl]phenyl]acetic acid
CID 106336801
1-hydroxy-5-methylsulfonyl-1-phenylpentan-2-one
CID 103458038
1-[3-(methanesulfonamido)propyl]-2-methyl-3-[3-(1-phenylethoxy)propyl]guanidine
CID 111403869
2-amino-N-[3-(methanesulfonamido)propyl]-4-phenylbutanamide
CID 106336413

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-5,5-diphenylpentyl)methanesulfonamide?
The IUPAC name of N-(4-oxo-5,5-diphenylpentyl)methanesulfonamide (CID 24751947) is N-(4-oxo-5,5-diphenylpentyl)methanesulfonamide.
What is the SMILES notation for N-(4-oxo-5,5-diphenylpentyl)methanesulfonamide?
The canonical SMILES for N-(4-oxo-5,5-diphenylpentyl)methanesulfonamide is CS(=O)(=O)NCCCC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(4-oxo-5,5-diphenylpentyl)methanesulfonamide?
The InChIKey is JDYLWTVHXMNKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-23(21,22)19-14-8-13-17(20)18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,18-19H,8,13-14H2,1H3.
What are the key properties of N-(4-oxo-5,5-diphenylpentyl)methanesulfonamide?
N-(4-oxo-5,5-diphenylpentyl)methanesulfonamide has a molecular weight of 331.44 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-5,5-diphenylpentyl)methanesulfonamide is sourced from PubChem (CID 24751947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).